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Significant advances have been made towards understanding the properties of materials through theoretical approaches. These approaches are based either on first-principles quantum mechanical formulations or semi-empirical formulations, and have benefitted from increases in computational power. The advent of parallel computing has propelled the theoretical approaches to a new level of realism in modelling physical systems of interest. The theoretical methods and simulation techniques that are cur- rently under development are certain to become powerful tools in understanding, exploring and predicting the properties of existing and novel materials. This book discusses critically current developments in computations and simulational approaches specifically aimed at addressing real materials problems, with an emphasis on parallel computing and shows the most successful applications of computational and simulational work to date. Topics include: advances in computational methods; parallel algorithms and applications; fracture, brittle/ductile behavior and large-scale defects; thermodynamic stability of materials; surfaces and interfaces of materials; and complex materials simulations.
It is common practice today to use the term "alloy" in connection with specific classes of materials, with prominence given to metals and semiconductors. However, there is good justification for considering alloys in a unified manner based on properties rather than types of materials because, after all, to alloy means to mix. The scientific aspects of mixing together different materials has a very long history going back to early attempts to understand and control materials behavior for the service of mankind. The case for using the scientific term "alloy" to mean any material consisting of more than one element can be based on the following two considerations. First, many alloys are mixtures of metallic, semiconducting, and/or insulating materials, and the properties of an alloy, i.e., metallic, semiconducting, or insulating, are often functions of composition and of external conditions, such as temperature and pressure. Second, and most importantly, in attempting to understand the various properties of materials, whether physical, chemical, or mechanical,one is apt to use the terminology and experimental, formal, and computational methods in their study that transcend the type of material being studied.
At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.
While the effects of spontaneous ordering or composition modulation on the properties of semiconductors and optoelectronic devices have been studied with great interest over the past several years, an understanding of the physics and chemistry of these two related phenomena is still in its infancy. This book brings together researchers from around the world to address issues concerning the physics, chemistry and growth parameters for spontaneous ordering and composition modulation. Developments in the use of artificial patterning to obtain new structured materials on a microscopic scale are featured. Advances in characterization techniques are also presented. Topics include: spontaneous ordering; self-assembled structures and quantum dots; self-organized epitaxial structures; composition modulation studies and optoelectronic materials.
8th International Conference on Superplasticity in Advanced Materials, St. Catherine College, Oxford, UK, July 2003
Liquid crystals have emerged as a class of organic materials with potential applications to optics, photonics and optoelectronics. Although a large number of liquid crystals have been discovered or synthesized, fundamental understanding of structure-property relationships at the molecular level is still lacking. Regardless, liquid-crystalline materials have found use in many areas of technology and their scope has been extended with the development of liquid-crystalline polymers, elastomers and composite systems. In addition, emerging advanced technologies, such as flat-panel displays, optical computing and communications, and imaging will call for improved materials as well as novel multifunctional materials. This book presents recent advances in both the fundamental science and application-specific research of LC technology. New synthetic approaches are featured, as are developments in novel glass forming, low-molecular-weight liquid crystals and their utility in both display and optical applications. Topics include: PDLC composites; display and optical applications of LC-based compounds; modelling; rheology; chiral smectics and thermosets.
This book focuses on the fractal aspects of materials and disordered systems. Disorder plays a critical role in many naturally occurring and manufactured materials, both at the microscopic level (e.g., glasses) and the macroscopic level (e.g., foams, dendritic alloys, porous rock). The book addresses the dynamical processes involved in the formation and characterization of a wide range of disordered materials. Topics include: porous media; colloids; chemical reactions; dynamical aspects of the liquid-glass transition; disordered materials and surfaces and scaling and nanostructures.
MRS books on materials reliability in microelectronics have become the snapshot of progress in this field. Reduced feature size, increased speed, and larger area are all factors contributing to the continual performance and functionality improvements in integrated circuit technology. These same factors place demands on the reliability of the individual components that make up the IC. Achieving increased reliability requires an improved understanding of both thin-film and patterned-feature materials properties and their degradation mechanisms, how materials and processes used to fabricate ICs interact, and how they may be tailored to enable reliability improvements. This book focuses on the physics and materials science of microelectronics reliability problems rather than the traditional statistical, accelerated electrical testing aspects. Studies are grouped into three large sections covering electromigration, gate oxide reliability and mechanical stress behavior. Topics include: historical summary; reliability issues for Cu metallization; characterization of electromigration phenomena; modelling; microstructural evolution and influences; oxide and device reliability; thin oxynitride dielectrics; noncontact diagnostics; stress effects in thin films and interconnects and microbeam X-ray techniques for stress measurements.
Layered materials and systems based on metallic, intermetallic, polymeric and ceramic constituents have become increasingly important in meeting the structural requirements of current and future high-performance products. This book brings together investigators from industry, academia and government to focus on the structural applications of layered systems. Thermal barrier coatings, aircraft structural components and wear-resistant coatings for a wide variety of applications are highlighted. Processing techniques such as EB deposition, reactive sputter deposition, sedimentation processing, pressureless cosintering and rapid prototyping via laminated object manufacturing are also covered. And while microstability issues are addressed, they appear to be a critical area where further investigation is required. The largest number of papers focus on the mechanical behavior and modelling of layered systems and reveal significant effects of layer thickness, spacing and constituent properties on the fracture and fatigue behavior of such systems. Topics include: applications; processing; stability issues and mechanical behavior.